NCI60_017417
TL;DR: NCI60_017417 (CAS 135128-63-1) is a chemical compound with molecular formula C24H26N4O3 and molecular weight 418.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-ethoxyphenyl)-2-ethyl-4-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-4,5-dihydropyridazin-3-one
Also Known As: NCI60_017417, 6-(4-Ethoxyphenyl)-2-ethyl-4-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-3(2H)-pyridazinone, 6-(4-ethoxyphenyl)-2-ethyl-4-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-4,5-dihydropyridazin-3-one, 6-(4-ethoxyphenyl)-2-ethyl-4-(3-methyl-5-oxo-1-phenyl-4,5-dihydropyridazin-3(2H)-one, 4,5-Dihydro-6-(4-ethoxyphenyl)-4-[(4,5-dihydro-5-oxo-3-methyl-1-phenyl-1H-pyrazol)-4-yl]-2-ethylpyridazin-3(2H)-one
| Molecular Formula | C24H26N4O3 |
|---|---|
| Molecular Weight | 418.20 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.2005 |
| Heavy Atoms | 31 |
| Complexity | 735.0 |
Chemical Identifiers
| CAS Number | 135128-63-1 |
|---|---|
| SMILES | CCN1C(=O)C(CC(=N1)C2=CC=C(C=C2)OCC)C3C(=NN(C3=O)C4=CC=CC=C4)C |
| InChIKey | KDNOVJQOHLZBDA-UHFFFAOYSA-N |
Product Overview
NCI60_017417 (CAS 135128-63-1), with molecular formula C24H26N4O3 and molecular weight 418.20 g/mol. IUPAC: 6-(4-ethoxyphenyl)-2-ethyl-4-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-4,5-dihydropyridazin-3-one.
Chemical Property Profile of NCI60_017417
Property Insights of NCI60_017417
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_017417. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_017417. Following Lipinski's Rule of Five, NCI60_017417 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_017417?
The CAS number of NCI60_017417 is 135128-63-1.
What is the molecular formula of NCI60_017417?
The molecular formula of NCI60_017417 is C24H26N4O3.
What is the molecular weight of NCI60_017417?
The molecular weight of NCI60_017417 is 418.20 g/mol.
Where can I buy NCI60_017417?
You can request a quote for NCI60_017417 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_017417?
Yes, KEHONG BIO provides custom synthesis services for NCI60_017417 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.